(2S)-2-[9H-fluoren-9-yl(methoxycarbonyl)amino]non-8-enoic acid

C24H27NO4 — CID 138544790

IUPAC(2S)-2-[9H-fluoren-9-yl(methoxycarbonyl)amino]non-8-enoic acid
SMILESC=CCCCCC[C@@H](C(=O)O)N(C(=O)OC)C1c2ccccc2-c2ccccc21
InChIInChI=1S/C24H27NO4/c1-3-4-5-6-7-16-21(23(26)27)25(24(28)29-2)22-19-14-10-8-12-17(19)18-13-9-11-15-20(18)22/h3,8-15,21-22H,1,4-7,16H2,2H3,(H,26,27)/t21-/m0/s1
InChIKeyABJZMLISZXVTPR-NRFANRHFSA-N
MW393.48 g/mol
LogP5.41
Rot. Bonds9

About (2S)-2-[9H-fluoren-9-yl(methoxycarbonyl)amino]non-8-enoic acid

(2S)-2-[9H-fluoren-9-yl(methoxycarbonyl)amino]non-8-enoic acid (PubChem CID 138544790) has the molecular formula C24H27NO4 and a molecular weight of 393.48 g/mol. Its IUPAC name is (2S)-2-[9H-fluoren-9-yl(methoxycarbonyl)amino]non-8-enoic acid.

Molecular Properties

Compound Name(2S)-2-[9H-fluoren-9-yl(methoxycarbonyl)amino]non-8-enoic acid
PubChem CID138544790
Molecular FormulaC24H27NO4
Molecular Weight393.48 g/mol
Exact Mass393.19
IUPAC Name(2S)-2-[9H-fluoren-9-yl(methoxycarbonyl)amino]non-8-enoic acid
SMILESC=CCCCCC[C@@H](C(=O)O)N(C(=O)OC)C1c2ccccc2-c2ccccc21
InChIInChI=1S/C24H27NO4/c1-3-4-5-6-7-16-21(23(26)27)25(24(28)29-2)22-19-14-10-8-12-17(19)18-13-9-11-15-20(18)22/h3,8-15,21-22H,1,4-7,16H2,2H3,(H,26,27)/t21-/m0/s1
InChIKeyABJZMLISZXVTPR-NRFANRHFSA-N
XLogP5.41
TPSA66.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500393.48
LogP ≤ 55.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

(2S)-5-amino-2-[9H-fluoren-9-yl(methoxycarbonyl)amino]pentanoic acid;2,2,2-trifluoroacetic acid
CID 69014238
8-O-tert-butyl 1-O-prop-2-enyl 2-[9H-fluoren-9-yl(methoxycarbonyl)amino]octanedioate
CID 69298741
(2R)-3-(1-benzothiophen-3-yl)-2-[9H-fluoren-9-yl(methoxycarbonyl)amino]propanoic acid
CID 68886027
6-[6-[[2-(2,4-dichlorophenoxy)acetyl]amino]hexanoylamino]-2-[9H-fluoren-9-yl(methoxycarbonyl)amino]hexanoic acid
CID 68958422
(3R)-3-[9H-fluoren-9-yl(methoxycarbonyl)amino]butanoic acid
CID 70076002
3-(diethoxyphosphorylmethoxy)-2-[9H-fluoren-9-yl(methoxycarbonyl)amino]propanoic acid
CID 87693964
2-[9H-fluoren-9-yl(methoxycarbonyl)amino]-3-(4-nitrophenyl)propanoic acid
CID 76853877
2-[9H-fluoren-9-yl(methoxycarbonyl)amino]-6-[2-[3-(9H-fluoren-9-ylmethoxycarbonyloxy)-3-oxopropyl]pyrrol-1-yl]hexanoic acid
CID 25002276
3-[9H-fluoren-9-yl(methoxycarbonyl)amino]-4-phenylbutanoic acid
CID 53394977
(2S)-2-[9H-fluoren-9-yl(methoxycarbonyl)amino]-2-naphthalen-2-ylacetic acid
CID 99909243
(1-methoxy-1-oxooct-7-en-2-yl)-triphenylphosphanium
CID 101240763
(2S)-6-amino-2-[9H-fluoren-9-ylmethoxycarbonyl(methyl)amino]hexanoic acid
CID 102331202

Frequently Asked Questions

What is the IUPAC name of (2S)-2-[9H-fluoren-9-yl(methoxycarbonyl)amino]non-8-enoic acid?
The IUPAC name of (2S)-2-[9H-fluoren-9-yl(methoxycarbonyl)amino]non-8-enoic acid (CID 138544790) is (2S)-2-[9H-fluoren-9-yl(methoxycarbonyl)amino]non-8-enoic acid.
What is the SMILES notation for (2S)-2-[9H-fluoren-9-yl(methoxycarbonyl)amino]non-8-enoic acid?
The canonical SMILES for (2S)-2-[9H-fluoren-9-yl(methoxycarbonyl)amino]non-8-enoic acid is C=CCCCCC[C@@H](C(=O)O)N(C(=O)OC)C1c2ccccc2-c2ccccc21.
What is the InChIKey of (2S)-2-[9H-fluoren-9-yl(methoxycarbonyl)amino]non-8-enoic acid?
The InChIKey is ABJZMLISZXVTPR-NRFANRHFSA-N. The full InChI is InChI=1S/C24H27NO4/c1-3-4-5-6-7-16-21(23(26)27)25(24(28)29-2)22-19-14-10-8-12-17(19)18-13-9-11-15-20(18)22/h3,8-15,21-22H,1,4-7,16H2,2H3,(H,26,27)/t21-/m0/s1.
What are the key properties of (2S)-2-[9H-fluoren-9-yl(methoxycarbonyl)amino]non-8-enoic acid?
(2S)-2-[9H-fluoren-9-yl(methoxycarbonyl)amino]non-8-enoic acid has a molecular weight of 393.48 g/mol, XLogP of 5.41, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-[9H-fluoren-9-yl(methoxycarbonyl)amino]non-8-enoic acid is sourced from PubChem (CID 138544790), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).